bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole

C60H58Cl7N3O6 — CID 161162176

About bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole

bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole (PubChem CID 161162176) has the molecular formula C60H58Cl7N3O6 and a molecular weight of 1165.31 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole.

Molecular Properties

• Compound Name: bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole
• PubChem CID: 161162176
• Molecular Formula: C60H58Cl7N3O6
• Molecular Weight: 1165.31 g/mol
• Exact Mass: 1161.21
• IUPAC Name: bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole
• SMILES: ClCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1.Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@H]2C=C[C@@H]1C2.Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@H]1C[C@H]2C=C[C@@H]1C2.OC1CC2C=CC1C2
• InChI: InChI=1S/2C20H19Cl2NO2.C13H10Cl3NO.C7H10O/c2*21-15-2-1-3-16(22)18(15)19-14(20(25-23-19)12-6-7-12)10-24-17-9-11-4-5-13(17)8-11;14-6-8-12(17-18-13(8)7-4-5-7)11-9(15)2-1-3-10(11)16;8-7-4-5-1-2-6(7)3-5/h2*1-5,11-13,17H,6-10H2;1-3,7H,4-6H2;1-2,5-8H,3-4H2/t11-,13+,17+;11-,13+,17-;;/m00../s1
• InChIKey: UQBGUDQFJJAPOK-RLEFDKTASA-N
• XLogP: 18.22
• TPSA: 116.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1165.31
LogP ≤ 5	18.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole?

The IUPAC name of bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole (CID 161162176) is bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole.

What is the SMILES notation for bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole?

The canonical SMILES for bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole is ClCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1.Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@H]2C=C[C@@H]1C2.Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@H]1C[C@H]2C=C[C@@H]1C2.OC1CC2C=CC1C2.

What is the InChIKey of bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole?

The InChIKey is UQBGUDQFJJAPOK-RLEFDKTASA-N. The full InChI is InChI=1S/2C20H19Cl2NO2.C13H10Cl3NO.C7H10O/c2*21-15-2-1-3-16(22)18(15)19-14(20(25-23-19)12-6-7-12)10-24-17-9-11-4-5-13(17)8-11;14-6-8-12(17-18-13(8)7-4-5-7)11-9(15)2-1-3-10(11)16;8-7-4-5-1-2-6(7)3-5/h2*1-5,11-13,17H,6-10H2;1-3,7H,4-6H2;1-2,5-8H,3-4H2/t11-,13+,17+;11-,13+,17-;;/m00../s1.

What are the key properties of bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole?

bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole has a molecular weight of 1165.31 g/mol, XLogP of 18.22, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bicyclo[2.2.1]hept-5-en-2-ol;4-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole is sourced from PubChem (CID 161162176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).